Molecule

ID:48809

General Information
Structure
Molecular Formula
C₁₁H₁₅ClN₂O
Molecular Mass
226.7026
Exact Mass
226.08729079
Charge
0
InChI
InChI=1S/C11H14N2O.ClH/c12-7-5-11(14)13-8-6-9-3-1-2-4-10(9)13;/h1-4H,5-8,12H2;1H
InChIKey
HIGFJUSEXHRPPM-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N1CCc2c1cccc2.Cl
Isomeric Smiles
N1(C(=O)CCN)c2c(CC1)cccc2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5061786
LogD (pH = 7.4)
-1.2831576
Log P
0.42779365
Molar Refractivity
55.4056
Polarizability
21.526966
Polar Surface Area
46.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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